2-[(E,2S)-1,11-bis(oxidanylidene)-1-[[(2S)-1-oxidanyl-1-oxidanylidene-3-(4-phenylmethoxyphenyl)propan-2-yl]amino]octadec-3-en-2-yl]-2-oxidanyl-butanedioic acid

Systemtic Name: 2-[(E,2S)-1,11-bis(oxidanylidene)-1-[[(2S)-1-oxidanyl-1-oxidanylidene-3-(4-phenylmethoxyphenyl)propan-2-yl]amino]octadec-3-en-2-yl]-2-oxidanyl-butanedioic acid Openeye Name: 2-[(E,1S)-1-[[(1S)-1-[(4-benzyloxyphenyl)methyl]-2-hydroxy-2-oxo-ethyl]carbamoyl]-10-oxo-heptadec-2-enyl]-2-hydroxy-butanedioic acid CAS Name: 2-hydroxy-2-[(E,2S)-1-[[(2S)-1-hydroxy-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]amino]-1,11-dioxooctadec-3-en-2-yl]butanedioic acid IUPAC Name: 2-hydroxy-2-[(E,2S)-1-[[(2S)-1-hydroxy-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]amino]-1,11-dioxooctadec-3-en-2-yl]butanedioic acid Traditional Name: 2-[(E,1S)-1-[[(1S)-1-(4-benzoxybenzyl)-2-hydroxy-2-keto-ethyl]carbamoyl]-10-keto-heptadec-2-enyl]-2-hydroxy-succinic acid Formula: C38H51NO10 MolecularWeight: 681.81224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)CCCCCCC=CC(C(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCCCCCCC(=O)CCCCCC/C=C/[C@H](C(=O)N[C@@H](CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C38H51NO10/c1-2-3-4-7-13-18-30(40)19-14-8-5-6-9-15-20-32(38(48,37(46)47)26-34(41)42)35(43)39-33(36(44)45)25-28-21-23-31(24-22-28)49-27-29-16-11-10-12-17-29/h10-12,15-17,20-24,32-33,48H,2-9,13-14,18-19,25-27H2,1H3,(H,39,43)(H,41,42)(H,44,45)(H,46,47)/b20-15+/t32-,33+,38?/m1/s1